SCHEMBL3399413

SCHEMBL3399413

COc1cc(N2CCOCC2)ccc1Nc1cc(I)c(C)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.57
ALK Q9UM73 2/20 0.57
LRRK2 Q5S007 1/20 0.55
MAPK10 P53779 7/20 0.54
MAPK9 P45984 4/20 0.54
PTK2 Q05397 3/20 0.52
TTK P33981 4/20 0.50
PIK3CA P42336 1/20 0.49
ULK1 O75385 2/20 0.49
TNK2 Q07912 1/20 0.47
IGF1R P08069 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3403438 0.88 INSR (0.67) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12886654 0.84 MAPK10 (0.60) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12886378 0.83 ULK1 (0.62) INSRALKLRRK2MAPK10MAPK9
SCHEMBL3399758 0.82 MAPK10 (0.54) MAPK10IGF1R
SCHEMBL12886401 0.81 MAPK10 (0.55) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12886412 0.81 MAPK10 (0.55) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12886655 0.80 MAPK10 (0.56) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12886448 0.80 MAPK10 (0.54) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12886415 0.79 MAPK10 (0.53) INSRALKLRRK2MAPK10MAPK9
SCHEMBL12886390 0.79 MAPK10 (0.70) INSRALKLRRK2MAPK10MAPK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-12-16 US disclosed
US-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-12-16 US disclosed
US-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC 2010-12-16 US disclosed
EP-2249650-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK GlaxoSmithKline LLC (US) 2010-11-17 EP disclosed
WO-2009105498-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 WO disclosed
WO-2009105498-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK SMITHKLINE BEECHAM CORPORATION (US) 2009-08-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317663-A1 ANILINOPYRIDINES AS INHIBITORS OF FAK PTK2, JAK2, SRC INSR 572/4885ALK 342/4885LRRK2 549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.